Hexanedioic acid, bis(1,1-dimethylethyl) ester

Base Information

• Chemical Name: Hexanedioic acid, bis(1,1-dimethylethyl) ester
• CAS No.: 20270-53-5
• Molecular Formula: C14H26O4
• Molecular Weight: 258.358
• Mol file: 20270-53-5.mol

Synonyms:Di-t-butyl adipate;adipic acid di-tert-butyl ester;Adipinsaeure-di-tert-butylester;Di-t-butyladipate;

Chemical Property of Hexanedioic acid, bis(1,1-dimethylethyl) ester

Chemical Property:

• Melting Point: 32.5 °C
• Boiling Point: 134 °C
• PSA: 52.60000
• Density: 0.968±0.06 g/cm3(Predicted)
• LogP: 3.23020
• Storage Temp.: 2-8°C(protect from light)

Purity/Quality:

97% ^*data from raw suppliers

Di-tert-butyladipate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Hexanedioic acid, bis(1,1-dimethylethyl) ester

There total 4 articles about Hexanedioic acid, bis(1,1-dimethylethyl) ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

C14H24O4 → di-tert-butyl 1,6-hexanedioate (20270-53-5)

Guidance literature:

With C₃₄H₃₂N₂Ru; hydrogen; In toluene; at 60 ℃; for 18h; under 7500.75 Torr; Autoclave;

DOI:10.1002/cctc.201800525

Reference yield: 89.0%

Adipic acid dichloride (111-50-2) + tert-butyl alcohol (75-65-0) → di-tert-butyl 1,6-hexanedioate (20270-53-5)

Guidance literature:

With N,N-dimethyl-aniline; In diethyl ether; at 20 ℃; for 20h;

DOI:10.1039/b407559e

Reference yield:

Adipic acid (124-04-9) → di-tert-butyl 1,6-hexanedioate (20270-53-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / benzene; cyclohexane / 2.5 h / Heating

2: N,N-dimethylaniline / diethyl ether / 20 h / Ambient temperature

With thionyl chloride; N,N-dimethyl-aniline; In diethyl ether; cyclohexane; benzene;

DOI:10.1021/jo00391a060

upstream raw materials:

Adipic acid dichloride

tert-butyl alcohol

Adipic acid

Downstream raw materials:

t-butyl (1S,2S,3R)-3-ethyl-2-aminocyclopentane-1-carboxylate

tert-butyl (1R,2S,3R)-3-ethyl-2-aminocyclopentane-1-carboxylate

tert-butyl (RS)-3-benzyl-cyclopent-1-enecarboxylate

tert-butyl 2-hydroxy-3-benzylcyclopentane-1-carboxylate